General Information of the Compound
| Compound ID |
CP0555415
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| Compound Name |
US8575364, 29
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| Structure |
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| Formula |
C16H14N2O
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| Molecular Weight |
250.301
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| Canonical SMILES |
N#Cc1ccc(cc1OC1CNC1)-c1ccccc1
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| InChI |
InChI=1S/C16H14N2O/c17-9-14-7-6-13(12-4-2-1-3-5-12)8-16(14)19-15-10-18-11-15/h1-8,15,18H,10-11H2
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| InChIKey |
WHKUBBHWMNRGHD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound